N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide

C16H20N4O — CID 109109423

IUPACN-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(NC(C)C)nn2)cc1
InChIInChI=1S/C16H20N4O/c1-11(2)18-15-9-8-14(19-20-15)16(21)17-10-13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyJFQAPDWHWDGOPL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.54
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide

N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide (PubChem CID 109109423) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
PubChem CID109109423
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(NC(C)C)nn2)cc1
InChIInChI=1S/C16H20N4O/c1-11(2)18-15-9-8-14(19-20-15)16(21)17-10-13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyJFQAPDWHWDGOPL-UHFFFAOYSA-N
XLogP2.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118581
N-[(4-methylphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109118594
N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109295146
N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109430
6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118657
N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109497
6-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118589
6-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118599
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360404
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231
6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 121114057
N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109117896

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide (CID 109109423) is N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(NC(C)C)nn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is JFQAPDWHWDGOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)18-15-9-8-14(19-20-15)16(21)17-10-13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109109423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).